diff --git a/Manuscript/G2-srDFT.tex b/Manuscript/G2-srDFT.tex index f96fa68..97c3d5e 100644 --- a/Manuscript/G2-srDFT.tex +++ b/Manuscript/G2-srDFT.tex @@ -389,7 +389,7 @@ Defining $\nFC{\modZ}{\Bas}$ as the FC (i.e.~valence-only) one-electron density %================================================================= The most computationally intensive task of the present approach is the evaluation of $\W{}{\Bas}(\br{},\br{})$ at each quadrature grid point. \titou{In the general case (i.e.~$\wf{}{\Bas}$ is a multi-determinant expansion), we compute this embarrassingly parallel step in $\order*{\Ng \Nb^4}$ computational cost with a memory requirement of $\order*{ \Ng \Nb^2}$, where $\Nb$ is the number of basis functions in $\Bas$. -The computational cost can be reduced to $\order*{ \Ng \Ne^2 \Nb^2}$ when $\wf{}{\Bas}$ is a single Slater determinant.} +The computational cost can be reduced to $\order*{ \Ng \Ne^2 \Nb^2}$ with no memory footprint when $\wf{}{\Bas}$ is a single Slater determinant.} As shown in Ref.~\onlinecite{GinPraFerAssSavTou-JCP-18}, this choice for $\wf{}{\Bas}$ already provides, for weakly correlated systems, a quantitative representation of the incompleteness of $\Bas$. Hence, we will stick to this choice throughout the present study. In our current implementation, the computational bottleneck is the four-index transformation to get the two-electron integrals in the MO basis which appear in Eqs.~\eqref{eq:n2basis} and \eqref{eq:fbasis}.